Product NameWIELAND-MIESCHER KETONE
CAS20007-72-1
Molecular FormulaC11H14O2
Molecular Weight178.23
InChIInChI=1S/C11H14O2/c1-11-6-5-9(12)7-8(11)3-2-4-10(11)13/h7H,2-6H2,1H3
InChIKey DNHDRUMZDHWHKG-UHFFFAOYSA-N
SmilesC1(=O)C2(C)C(=CC(=O)CC2)CCC1
Mass
MS-IW-2315 8a-methyl-3,4,8,8a-tetrahydro-1,6(2H,7H)-naphthalenedione C11H14O2 (Mass of molecular ion: 178)
Source Temperature: 190 °C Sample Temperature: 150 °C Reservoir, 75 eV
26.0 1.1 27.0 13.8 28.0 3.3 29.0 6.5 31.0 3.1 38.0 2.0 39.0 26.4 40.0 6.3 41.0 17.7 42.0 3.0 43.0 4.0 45.0 2.3 46.0 1.2 50.0 3.8 51.0 12.2 52.0 8.4 53.0 14.0 54.0 2.6 55.0 78.3 56.0 3.2 57.0 1.5 59.0 3.8 60.0 2.3 62.0 1.4 63.0 4.8 64.0 1.7 65.0 13.3 66.0 12.8 67.0 15.1 68.0 2.3 69.0 2.1 74.0 2.1 77.0 29.4 78.0 8.6 79.0 63.3 80.0 36.6 81.0 6.7 82.0 2.4 91.0 25.4 92.0 5.8 93.0 62.3 94.0 39.0 95.0 19.9 96.0 2.8 97.0 1.2 103.0 1.6 105.0 4.9 106.0 3.3 107.0 32.2 108.0 78.3 109.0 8.8 110.0 1.3 117.0 2.2 118.0 1.4 119.0 1.3 120.0 1.1 121.0 100.0 122.0 88.5 123.0 14.6 124.0 3.8 132.0 1.3 133.0 4.3 134.0 4.3 135.0 30.0 136.0 89.9 137.0 13.7 138.0 1.1 145.0 2.5 149.0 2.5 150.0 23.8 151.0 2.8 160.0 43.7 161.0 6.2 163.0 10.5 164.0 1.3 177.0 1.2 178.0 73.6 179.0 9.0 180.0 2.0
KBr disc
liquid film
WIELAND-MIESCHER KETONE(20007-72-1) Raman Atlas of Related Products
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